N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C18H23N3OS — CID 99634670

IUPACN-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)Cc1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)cs1
InChIInChI=1S/C18H23N3OS/c1-19-17(22)10-18-21-14(12-23-18)11-20-16-9-5-8-15(16)13-6-3-2-4-7-13/h2-4,6-7,12,15-16,20H,5,8-11H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyXOZVDVREVKNUHQ-CVEARBPZSA-N
MW329.47 g/mol
LogP2.86
Rot. Bonds6

About N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 99634670) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID99634670
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)Cc1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)cs1
InChIInChI=1S/C18H23N3OS/c1-19-17(22)10-18-21-14(12-23-18)11-20-16-9-5-8-15(16)13-6-3-2-4-7-13/h2-4,6-7,12,15-16,20H,5,8-11H2,1H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyXOZVDVREVKNUHQ-CVEARBPZSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 95786215
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 119783085
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 38706195
N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97333419
N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 99819030
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042984
N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 78869634
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 99634670) is N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CNC(=O)Cc1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)cs1.
What is the InChIKey of N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XOZVDVREVKNUHQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-19-17(22)10-18-21-14(12-23-18)11-20-16-9-5-8-15(16)13-6-3-2-4-7-13/h2-4,6-7,12,15-16,20H,5,8-11H2,1H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 99634670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).